SCHEMBL4136943

SCHEMBL4136943

O=C(O)c1cc2c(-c3ccc4ccccc4c3)n[nH]c2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
ACMSD Q8TDX5 1/20 0.43
ALPL P05186 1/20 0.42
DHODH Q02127 1/20 0.41
BCL2L1 Q07817 1/20 0.41
RPS6KB2 Q9UBS0 1/20 0.41
CDK2 P24941 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CDK4 P11802 1/20 0.40
CCNA2 P20248 1/20 0.40
CCND1 P24385 1/20 0.40
CCND3 P30281 1/20 0.40
KDR P35968 1/20 0.40
MAPK9 P45984 2/20 0.40
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
RPA1 P27694 1/20 0.39
MAP3K8 P41279 1/20 0.39
MAP2K4 P45985 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4149107 0.88 KDR (0.44) CA12ALPLCDK2CDK4CCNA2
SCHEMBL6417097 0.86 KDM4E (0.52) ALPLBCL2L1CDK2KDM4EALDH1A1
SCHEMBL4149069 0.81 KDR (0.49) CDK2KDM4EALDH1A1CCNA2KDR
SCHEMBL4149533 0.81 MAPK8 (0.43) CA12ALPLCDK2KDM4EALDH1A1
SCHEMBL6425955 0.80 TP53 (0.39) CA12ALPLCDK2KDM4EALDH1A1
SCHEMBL6429453 0.80 MAPK1 (0.44) CDK2MAPK1CDK1PRKACAGSK3A
SCHEMBL6426048 0.77 HPGD (0.53) KDM4EALDH1A1MAPK8MAPK1MEN1
SCHEMBL4137031 0.76 S1PR5 (0.42) ALPLCDK2KDM4ECDK4CCNA2
SCHEMBL4149111 0.75 MAPK8 (0.40) CA12CDK2KDM4EALDH1A1CDK4
SCHEMBL4151913 0.75 ADORA2A (0.43) CA12CDK2CDK4CCNA2CCND1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
CN-1656079-A Pyrazole compounds and pharmaceutical compositions containing the same EISAI CO LTD (JP) 2005-08-17 CN disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B CA12 2541/4885ACMSD 4524/4885ALPL 3224/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CA12 2296/4885ACMSD 4556/4885ALPL 3251/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.